Assay Detail
Binding
CHEMBL5118400
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Antagonist activity at human P2X3R expressed in HEK293 cells assessed as reduction in alphabeta-MeATP-induced intracellular Ca2+ influx pretreated with compound followed by alphabeta-MeATP addition and measured by Fluo-4 dye fluorescence analysis
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Cell Type | HEK293 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
AI-based prediction of new binding site and virtual screening for the discovery of novel P2X3 receptor antagonists.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 21 | 5.74 | 8.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5186232 | — | — | 1 | 8.52 |
| CHEMBL5084939 | — | — | 1 | 8.38 |
| CHEMBL5095224 | ELIAPIXANT | 2.0 | 1 | 8.10 |
| CHEMBL5207245 | — | — | 1 | 7.60 |
| CHEMBL3716057 | GEFAPIXANT | 4.0 | 1 | 7.35 |
| CHEMBL5170554 | — | — | 1 | 5.71 |
| CHEMBL5178333 | — | — | 1 | 5.51 |
| CHEMBL5178054 | — | — | 1 | 5.46 |
| CHEMBL5186736 | — | — | 1 | 5.25 |
| CHEMBL5182519 | — | — | 1 | 5.07 |
| CHEMBL5199426 | — | — | 1 | 5.06 |
| CHEMBL5201961 | — | — | 1 | 5.01 |
| CHEMBL5175267 | — | — | 1 | 4.98 |
| CHEMBL5191901 | — | — | 1 | 4.96 |
| CHEMBL5194075 | — | — | 1 | 4.94 |
| CHEMBL5182831 | — | — | 1 | 4.87 |
| CHEMBL5194597 | — | — | 1 | 4.86 |
| CHEMBL5196092 | — | — | 1 | 4.81 |
| CHEMBL5193198 | — | — | 1 | 4.74 |
| CHEMBL5192824 | — | — | 1 | 4.72 |
| CHEMBL5185378 | — | — | 1 | 4.66 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5186232 | — | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL5084939 | — | IC50 | = | 4.2 | nM | 8.38 |
| CHEMBL5095224 | ELIAPIXANT | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL5207245 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3716057 | GEFAPIXANT | IC50 | = | 45.0 | nM | 7.35 |
| CHEMBL5170554 | — | IC50 | = | 1930.0 | nM | 5.71 |
| CHEMBL5178333 | — | IC50 | = | 3070.0 | nM | 5.51 |
| CHEMBL5178054 | — | IC50 | = | 3430.0 | nM | 5.46 |
| CHEMBL5186736 | — | IC50 | = | 5610.0 | nM | 5.25 |
| CHEMBL5182519 | — | IC50 | = | 8560.0 | nM | 5.07 |
| CHEMBL5199426 | — | IC50 | = | 8720.0 | nM | 5.06 |
| CHEMBL5201961 | — | IC50 | = | 9760.0 | nM | 5.01 |
| CHEMBL5175267 | — | IC50 | = | 10400.0 | nM | 4.98 |
| CHEMBL5191901 | — | IC50 | = | 10900.0 | nM | 4.96 |
| CHEMBL5194075 | — | IC50 | = | 11500.0 | nM | 4.94 |
| CHEMBL5182831 | — | IC50 | = | 13400.0 | nM | 4.87 |
| CHEMBL5194597 | — | IC50 | = | 13800.0 | nM | 4.86 |
| CHEMBL5196092 | — | IC50 | = | 15500.0 | nM | 4.81 |
| CHEMBL5193198 | — | IC50 | = | 18400.0 | nM | 4.74 |
| CHEMBL5192824 | — | IC50 | = | 19000.0 | nM | 4.72 |
| CHEMBL5185378 | — | IC50 | = | 21900.0 | nM | 4.66 |